N-(5-chloro-2-methylphenyl)-2-methoxybenzamide

• ChemBase ID: 301097
• Molecular Formular: C15H14ClNO2
• Molecular Mass: 275.73016
• Monoisotopic Mass: 275.07130637
• SMILES: Cc1ccc(cc1NC(=O)c1ccccc1OC)Cl
• Canonical SMILES: COc1ccccc1C(=O)Nc1cc(Cl)ccc1C
• InChI: InChI=1S/C15H14ClNO2/c1-10-7-8-11(16)9-13(10)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18)
• InChIKey: GCGOIFUXEFSHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-chloro-2-methylphenyl)-2-methoxybenzamide
• IUPAC Traditional name: N-(5-chloro-2-methylphenyl)-2-methoxybenzamide
• Synonyms: N-(5-Chloro-2-methylphenyl)-2-methoxybenzamide

Database IDs

• CAS Number: 331436-20-5
• MDL Number: MFCD00751752

CALCULATED PROPERTIES

• Acid pKa: 12.978665
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.024925
• LogD (pH = 7.4): 4.0249243
• Log P: 4.024925
• Molar Refractivity: 77.9007 cm^3
• Polarizability: 29.081833 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%